[gmx-users] total energy of a protein

Saumyak Mukherjee mukherjee.saumyak50 at gmail.com
Tue Jun 5 23:12:38 CEST 2018

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Dear All,

Is there any way of obtaining the total energy of a protein from GROMACS
(including bond stretch, angle bend, dihedral, Coulomb,  LJ, Coulomb-14 and
LJ-14) other than using gmx mdrun rerun?
‌
Regards,
Saumyak

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